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2,2'-[2,4-Bis(naphthalen-1-yl)cyclo-butane-1,3-di-yl]bis-(1-methyl-pyridinium) bis-(4-chloro-benzene-sulfonate): thermal-induced [2 + 2] cyclo-addition reaction of a heterostilbene.

ABSTRACT: The asymmetric unit of the title salt, C36H32N2 (2+)·2C6H4ClO3S(-), consists of one anion and one half-cation, the other half being generated by inversion symmetry. The dihedral angle between the pyridinium ring and the napthalene ring system in the asymmetric unit is 42.86?(6)°. In the crystal, cations and anions are linked by weak C-H?O inter-actions into chains along [010]. Adjacent chains are further arranged in an anti-parallel manner into sheets parallel to the bc plane. ?-? inter-actions are observed involving the cations, with centroid-centroid distances of 3.7664?(8) and 3.8553?(8)?Å.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC4011255 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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2,2'-[2,4-Bis(naphthalen-1-yl)cyclo-butane-1,3-di-yl]bis-(1-methyl-pyridinium) bis-(4-chloro-benzene-sulfonate): thermal-induced [2 + 2] cyclo-addition reaction of a heterostilbene.

Chantrapromma Suchada S Chanawanno Kullapa K Boonnak Nawong N Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20140402 Pt 5

The asymmetric unit of the title salt, C36H32N2 (2+)·2C6H4ClO3S(-), consists of one anion and one half-cation, the other half being generated by inversion symmetry. The dihedral angle between the pyridinium ring and the napthalene ring system in the asymmetric unit is 42.86 (6)°. In the crystal, cations and anions are linked by weak C-H⋯O inter-actions into chains along [010]. Adjacent chains are further arranged in an anti-parallel manner into sheets parallel to the bc plane. π-π inter-actions ...[more]

PMID: 24860326

Similar Datasets

2,2'-[2,4-Bis(naphthalen-1-yl)cyclo-butane-1,3-di-yl]bis-(1-methyl-pyridinium) diiodide: thermal-induced [2?+?2] cyclo-addition reaction of a heterostilbene.

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Project description:In the title compound, 2C(16)H(15)N(2) (+)·C(6)H(4)FO(3)S(-)·NO(3) (-)·0.25H(2)O, the two cations are nearly planar, with dihedral angles of 1.34?(14) and 4.6?(2)°, respectively, between the pyridinium and indole rings. The cations each adopt E configurations with respect to the C=C bonds and are inclined to each other with a dihedral angle of 77.66?(5)°. The ethenyl group of one cation is disordered over two sites with occupancies of 0.685?(12) and 0.315?(12), and the sulfonate group of the 4-fluoro-benzene-sulfonate anion is also disordered with occupancies of 0.535?(10) and 0.465?(10) for the two sets of O atoms. The anion is also inclined to the two cations, with dihedral angles between the mean planes of the benzene ring and the ?-conjugated systems of the cations of 24.72?(11) and 79.83?(11)°. In the crystal structure, the cations are stacked in an anti-parallel fashion into columns approximately along the a axis and are further linked through the anions into a three-dimensional network via N-H?O and C-H?O inter-actions. The water mol-ecule forms O-H?O hydrogen bonds to the nitrate anion and C-H?? inter-actions are also observed.

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